3-chloro-N-[4-(2-fluoro-4-nitrophenyl)-2-pyridinyl]propanamide

C14H11ClFN3O3 — CID 141490439

IUPAC3-chloro-N-[4-(2-fluoro-4-nitrophenyl)-2-pyridinyl]propanamide
SMILESO=C(CCCl)Nc1cc(-c2ccc([N+](=O)[O-])cc2F)ccn1
InChIInChI=1S/C14H11ClFN3O3/c15-5-3-14(20)18-13-7-9(4-6-17-13)11-2-1-10(19(21)22)8-12(11)16/h1-2,4,6-8H,3,5H2,(H,17,18,20)
InChIKeyIUMOMBAMVPUMLD-UHFFFAOYSA-N
MW323.71 g/mol
LogP3.36
Rot. Bonds5

About 3-chloro-N-[4-(2-fluoro-4-nitrophenyl)-2-pyridinyl]propanamide

3-chloro-N-[4-(2-fluoro-4-nitrophenyl)-2-pyridinyl]propanamide (PubChem CID 141490439) has the molecular formula C14H11ClFN3O3 and a molecular weight of 323.71 g/mol. Its IUPAC name is 3-chloro-N-[4-(2-fluoro-4-nitrophenyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[4-(2-fluoro-4-nitrophenyl)-2-pyridinyl]propanamide
PubChem CID141490439
Molecular FormulaC14H11ClFN3O3
Molecular Weight323.71 g/mol
Exact Mass323.05
IUPAC Name3-chloro-N-[4-(2-fluoro-4-nitrophenyl)-2-pyridinyl]propanamide
SMILESO=C(CCCl)Nc1cc(-c2ccc([N+](=O)[O-])cc2F)ccn1
InChIInChI=1S/C14H11ClFN3O3/c15-5-3-14(20)18-13-7-9(4-6-17-13)11-2-1-10(19(21)22)8-12(11)16/h1-2,4,6-8H,3,5H2,(H,17,18,20)
InChIKeyIUMOMBAMVPUMLD-UHFFFAOYSA-N
XLogP3.36
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2-fluoro-4-nitrophenyl)-2-pyridinyl]propanamide?
The IUPAC name of 3-chloro-N-[4-(2-fluoro-4-nitrophenyl)-2-pyridinyl]propanamide (CID 141490439) is 3-chloro-N-[4-(2-fluoro-4-nitrophenyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 3-chloro-N-[4-(2-fluoro-4-nitrophenyl)-2-pyridinyl]propanamide?
The canonical SMILES for 3-chloro-N-[4-(2-fluoro-4-nitrophenyl)-2-pyridinyl]propanamide is O=C(CCCl)Nc1cc(-c2ccc([N+](=O)[O-])cc2F)ccn1.
What is the InChIKey of 3-chloro-N-[4-(2-fluoro-4-nitrophenyl)-2-pyridinyl]propanamide?
The InChIKey is IUMOMBAMVPUMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O3/c15-5-3-14(20)18-13-7-9(4-6-17-13)11-2-1-10(19(21)22)8-12(11)16/h1-2,4,6-8H,3,5H2,(H,17,18,20).
What are the key properties of 3-chloro-N-[4-(2-fluoro-4-nitrophenyl)-2-pyridinyl]propanamide?
3-chloro-N-[4-(2-fluoro-4-nitrophenyl)-2-pyridinyl]propanamide has a molecular weight of 323.71 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(2-fluoro-4-nitrophenyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 141490439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).